Sugi Predict

Sugi Predict / Compounds / SCHEMBL3359501

SCHEMBL3359501

SCHEMBL3359501

N#CN1CC(C(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)Oc2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ AR P10275 3/20 0.36
▸ POLB P06746 3/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ AIMP2 Q13155 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13308402 0.91 ALDH1A1 (0.39) ALDH1A1RAB9AARPOLBPROKR1
SCHEMBL3355499 0.88 ALDH1A1 (0.42) ALDH1A1RAB9APOLBAIMP2MAPT
SCHEMBL3389451 0.87 POLB (0.42) ALDH1A1POLB
SCHEMBL3355372 0.86 ALDH1A1 (0.35) ALDH1A1PROKR1FPR2AIMP2L3MBTL1
SCHEMBL3353011 0.86 LMNA (0.34) ALDH1A1PROKR1FPR2AIMP2L3MBTL1
SCHEMBL3356345 0.83 ALDH1A1 (0.37) ALDH1A1RAB9AARPOLBPROKR1
SCHEMBL3353857 0.83 ALDH1A1 (0.36) ALDH1A1RAB9AARPOLBPROKR1
SCHEMBL3359150 0.82 ADAMTS5 (0.40) ALDH1A1PROKR1FPR2AIMP2
SCHEMBL3358766 0.79 RAB9A (0.38) ALDH1A1RAB9APOLBPROKR1FPR2
SCHEMBL13308405 0.78 ALDH1A1 (0.35) ALDH1A1POLBPROKR1FPR2AIMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US claimed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO claimed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 ALDH1A1 903/4885RAB9A 4434/4885AR 891/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.